#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpq n PRO 2 N 0.00 1.65 -3.77 3.17 -0.04 -1.26 -4.85 135.00 129.91 2jpq n PRO 2 Ca 0.00 -0.75 -0.30 0.00 -0.04 0.00 0.00 63.50 62.40 2jpq n PRO 2 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2jpq n PRO 2 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2jpq s ILE 3 N -1.14 5.25 0.00 0.52 -5.25 -1.26 -4.38 121.20 114.94 2jpq s ILE 3 Ca 0.14 -0.21 0.00 0.00 -0.99 0.00 0.00 60.65 59.59 2jpq s ILE 3 Cb 0.11 -3.65 0.00 0.00 2.95 0.00 0.00 42.46 41.87 2jpq s ILE 3 CO 0.03 0.03 0.00 0.41 -1.79 0.00 0.00 174.94 173.62 2jpq n THR 4 N -0.01 0.00 0.00 8.37 -1.04 -1.26 -4.76 114.28 115.57 2jpq n THR 4 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2jpq n THR 4 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2jpq n THR 4 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2jpq n SER 5 N 0.79 0.00 0.00 8.00 3.41 -1.26 -4.83 113.62 119.73 2jpq n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jpq n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jpq n SER 5 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jpq n LYS 6 N 0.00 0.00 -2.12 4.33 4.81 -1.26 -4.95 118.16 118.97 2jpq n LYS 6 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2jpq n LYS 6 Cb 0.00 -2.68 0.03 0.00 0.02 0.00 0.00 35.03 32.40 2jpq n LYS 6 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2jpq s TYR 7 N -1.44 3.40 0.09 5.64 2.02 -1.26 -4.99 117.35 120.81 2jpq s TYR 7 Ca 0.00 0.96 -0.31 0.00 -0.37 0.00 0.00 57.07 57.35 2jpq s TYR 7 Cb 0.00 -2.80 -0.09 0.00 -0.40 0.00 0.00 41.96 38.67 2jpq s TYR 7 CO 0.00 -0.86 1.65 0.99 -1.57 0.00 0.00 175.55 175.77 2jpq s THR 8 N -3.14 2.92 0.36 -0.71 2.01 -1.26 -4.89 115.64 110.92 2jpq s THR 8 Ca 0.55 0.44 0.08 0.00 0.31 0.00 0.00 61.69 63.07 2jpq s THR 8 Cb -0.11 -3.28 0.13 0.00 0.01 0.00 0.00 72.50 69.25 2jpq s THR 8 CO 0.50 0.00 1.86 -2.24 -0.69 0.00 0.00 174.62 174.05 2jpq h ASP 9 N 8.08 0.29 -0.19 3.53 3.04 -1.98 -0.45 116.42 128.73 2jpq h ASP 9 Ca -0.43 -0.07 0.05 0.00 -3.24 0.00 0.00 57.03 53.35 2jpq h ASP 9 Cb 1.20 -0.08 -0.06 0.00 -1.04 0.00 0.00 39.33 39.35 2jpq h ASP 9 CO 0.93 0.47 -0.22 -0.08 -2.04 0.00 0.00 179.24 178.31 2jpq h GLU 10 N 0.28 -0.23 0.49 4.15 4.57 -1.99 0.32 114.58 122.17 2jpq h GLU 10 Ca 0.05 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2jpq h GLU 10 Cb 0.45 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2jpq h GLU 10 CO 0.03 -0.16 -0.25 0.37 -1.18 0.00 0.00 179.01 177.82 2jpq h GLN 11 N -0.24 -0.65 -0.15 1.92 4.15 -1.73 -2.41 115.11 115.99 2jpq h GLN 11 Ca 0.12 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.61 2jpq h GLN 11 Cb 0.42 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 2jpq h GLN 11 CO -0.33 -0.44 -0.02 0.28 -1.93 0.00 0.00 178.83 176.39 2jpq h VAL 12 N -0.68 0.87 -0.72 2.39 2.07 -0.90 -1.94 116.25 117.34 2jpq h VAL 12 Ca -0.06 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2jpq h VAL 12 Cb 0.53 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2jpq h VAL 12 CO 0.10 0.00 0.47 -0.08 0.02 0.00 0.00 177.57 178.09 2jpq h GLU 13 N 0.02 0.95 -0.19 1.57 4.81 -0.34 0.12 114.58 121.52 2jpq h GLU 13 Ca 0.07 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2jpq h GLU 13 Cb 0.10 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2jpq h GLU 13 CO -0.14 0.63 -0.32 0.87 -0.73 0.00 0.00 179.01 179.32 2jpq h LYS 14 N 0.98 0.38 -0.24 1.92 1.79 -1.18 0.42 116.57 120.65 2jpq h LYS 14 Ca 0.26 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.49 2jpq h LYS 14 Cb -0.11 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2jpq h LYS 14 CO -0.06 0.67 -0.19 0.82 -1.08 0.00 0.00 179.45 179.61 2jpq h ILE 15 N 0.33 1.31 -0.83 1.86 2.04 -0.60 -2.53 117.51 119.11 2jpq h ILE 15 Ca 0.04 -1.33 0.07 0.00 1.00 0.00 0.00 64.86 64.64 2jpq h ILE 15 Cb 0.73 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 2jpq h ILE 15 CO 0.06 0.41 0.50 -0.07 0.00 0.00 0.00 178.15 179.05 2jpq h LEU 16 N 0.25 0.76 -0.50 1.44 3.38 -0.45 0.11 115.31 120.30 2jpq h LEU 16 Ca 0.04 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2jpq h LEU 16 Cb 0.73 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2jpq h LEU 16 CO 0.05 0.48 0.27 0.00 0.09 0.00 0.00 178.44 179.32 2jpq h ALA 17 N 1.41 0.64 -0.25 1.53 0.00 -0.80 0.22 119.26 122.03 2jpq h ALA 17 Ca 0.37 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 2jpq h ALA 17 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jpq h ALA 17 CO -0.19 -0.06 -0.54 0.93 0.00 0.00 0.00 179.25 179.39 2jpq h GLU 18 N 0.53 0.73 -0.13 0.00 5.08 -0.92 0.19 114.58 120.06 2jpq h GLU 18 Ca 0.22 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2jpq h GLU 18 Cb 0.10 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jpq h GLU 18 CO -0.14 1.08 0.04 0.28 -1.00 0.00 0.00 179.01 179.27 2jpq h VAL 19 N 0.56 1.18 0.00 3.13 2.07 -0.47 -2.26 116.25 120.47 2jpq h VAL 19 Ca 0.01 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2jpq h VAL 19 Cb 1.12 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2jpq h VAL 19 CO 0.11 0.17 -0.30 0.00 0.02 0.00 0.00 177.57 177.57 2jpq h ALA 20 N 0.85 1.40 -0.88 1.67 0.00 -0.56 -2.42 119.26 119.33 2jpq h ALA 20 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2jpq h ALA 20 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2jpq h ALA 20 CO -0.00 0.37 0.50 1.25 0.00 0.00 0.00 179.25 181.37 2jpq h LEU 21 N 0.00 1.08 -1.02 0.00 6.46 -0.58 -0.06 115.31 121.20 2jpq h LEU 21 Ca -0.00 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.62 2jpq h LEU 21 Cb 0.56 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2jpq h LEU 21 CO 0.04 0.86 0.15 0.58 -0.62 0.00 0.00 178.44 179.45 2jpq h VAL 22 N 1.22 1.23 -0.24 1.05 2.07 -0.91 0.59 116.25 121.25 2jpq h VAL 22 Ca 0.31 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2jpq h VAL 22 Cb 0.00 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2jpq h VAL 22 CO -0.05 0.30 -0.28 -0.07 0.02 0.00 0.00 177.57 177.49 2jpq h LEU 23 N 0.84 0.67 -0.81 2.57 3.38 -1.30 -2.12 115.31 118.52 2jpq h LEU 23 Ca 0.19 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2jpq h LEU 23 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2jpq h LEU 23 CO -0.00 1.02 -0.08 -0.08 0.09 0.00 0.00 178.44 179.38 2jpq h GLU 24 N 0.32 0.80 -0.91 1.13 4.81 -0.73 0.26 114.58 120.26 2jpq h GLU 24 Ca 0.03 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2jpq h GLU 24 Cb 0.85 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.10 2jpq h GLU 24 CO 0.07 0.86 0.59 -0.22 -0.73 0.00 0.00 179.01 179.58 2jpq h LYS 25 N 0.73 0.96 -0.60 1.92 3.11 0.35 -1.73 116.57 121.31 2jpq h LYS 25 Ca 0.13 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2jpq h LYS 25 Cb 0.57 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2jpq h LYS 25 CO 0.03 0.64 0.00 0.72 -2.81 0.00 0.00 179.45 178.03 2jpq n HIS 26 N -4.51 1.02 -3.76 1.91 8.25 -0.81 -4.96 115.22 112.36 2jpq n HIS 26 Ca 0.15 -0.55 -0.26 0.00 -0.26 0.00 0.00 57.72 56.79 2jpq n HIS 26 Cb 0.24 -0.09 0.05 0.00 1.12 0.00 0.00 29.99 31.30 2jpq n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jpq n ALA 27 N 1.14 -1.48 -1.78 -1.41 0.00 -0.65 -4.87 120.51 111.46 2jpq n ALA 27 Ca 0.22 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2jpq n ALA 27 Cb 0.67 -4.13 -0.03 0.00 0.00 0.00 0.00 19.45 15.97 2jpq n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpq s ALA 28 N -3.38 3.70 0.75 0.00 0.00 0.84 -4.99 121.76 118.67 2jpq s ALA 28 Ca 0.47 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 2jpq s ALA 28 Cb -0.23 -3.76 0.04 0.00 0.00 0.00 0.00 23.12 19.17 2jpq s ALA 28 CO 0.79 -1.28 1.09 -1.12 0.00 0.00 0.00 175.76 175.24 2jpq s SER 29 N 3.06 4.95 0.17 0.00 0.01 -1.26 -4.70 113.70 115.93 2jpq s SER 29 Ca 0.80 1.31 -0.24 0.00 1.31 0.00 0.00 55.95 59.14 2jpq s SER 29 Cb -0.43 -2.10 0.06 0.00 0.21 0.00 0.00 66.02 63.76 2jpq s SER 29 CO 0.36 -1.68 1.58 1.55 0.41 0.00 0.00 173.24 175.46 2jpq h PRO 30 N -0.89 -0.23 -0.68 12.44 0.13 -1.99 0.36 132.00 141.15 2jpq h PRO 30 Ca -0.46 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2jpq h PRO 30 Cb 1.25 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2jpq h PRO 30 CO 0.60 -0.15 0.30 0.93 -0.23 0.00 0.00 178.00 179.45 2jpq h GLU 31 N -0.23 0.99 -0.26 0.86 5.08 -1.99 -0.59 114.58 118.44 2jpq h GLU 31 Ca 0.19 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2jpq h GLU 31 Cb 0.56 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jpq h GLU 31 CO -0.63 0.80 0.15 1.25 -1.00 0.00 0.00 179.01 179.59 2jpq h LEU 32 N 0.95 0.24 -0.25 1.33 5.85 -1.70 0.29 115.31 122.01 2jpq h LEU 32 Ca 0.23 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.01 2jpq h LEU 32 Cb 0.16 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2jpq h LEU 32 CO -0.02 0.18 -0.17 0.74 -0.34 0.00 0.00 178.44 178.82 2jpq h THR 33 N 0.31 0.51 -0.02 1.05 2.02 0.21 0.24 112.91 117.23 2jpq h THR 33 Ca 0.10 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.11 2jpq h THR 33 Cb 0.00 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2jpq h THR 33 CO -0.05 0.00 -0.76 0.25 0.37 0.00 0.00 175.52 175.32 2jpq h LEU 34 N -0.16 0.19 -0.85 2.58 6.46 -0.88 -2.48 115.31 120.17 2jpq h LEU 34 Ca 0.14 -0.14 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 2jpq h LEU 34 Cb 0.37 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2jpq h LEU 34 CO -0.35 0.88 -0.55 -0.03 -0.62 0.00 0.00 178.44 177.78 2jpq h MET 35 N 0.10 0.07 -0.31 1.25 4.05 -0.02 -0.51 114.93 119.55 2jpq h MET 35 Ca -0.02 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2jpq h MET 35 Cb 1.34 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.13 2jpq h MET 35 CO 0.11 0.60 0.19 0.82 0.23 0.00 0.00 176.91 178.86 2jpq h ILE 36 N 0.05 1.10 -0.98 1.77 1.08 -0.26 -0.71 117.51 119.57 2jpq h ILE 36 Ca -0.00 -0.23 0.03 0.00 -0.39 0.00 0.00 64.86 64.26 2jpq h ILE 36 Cb 0.99 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 2jpq h ILE 36 CO 0.08 0.10 0.65 0.00 -0.69 0.00 0.00 178.15 178.28 2jpq h ALA 37 N 1.08 1.28 -0.33 1.87 0.00 -1.00 -0.47 119.26 121.69 2jpq h ALA 37 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jpq h ALA 37 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2jpq h ALA 37 CO -0.02 0.57 0.18 0.78 0.00 0.00 0.00 179.25 180.76 2jpq h GLY 38 N 1.28 0.49 1.17 0.00 0.00 -0.73 -0.58 103.07 104.69 2jpq h GLY 38 Ca 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2jpq h GLY 38 CO -0.11 0.21 0.46 3.43 0.00 0.00 0.00 176.54 180.54 2jpq h ASN 39 N 0.41 0.97 0.46 0.19 2.35 -0.63 0.20 115.58 119.54 2jpq h ASN 39 Ca 0.12 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2jpq h ASN 39 Cb 0.05 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 2jpq h ASN 39 CO -0.02 0.76 -0.26 0.40 -1.65 0.00 0.00 177.43 176.66 2jpq h ILE 40 N 1.11 0.46 -0.93 2.81 2.04 -0.70 0.24 117.51 122.55 2jpq h ILE 40 Ca 0.29 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 2jpq h ILE 40 Cb -0.02 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2jpq h ILE 40 CO -0.05 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.71 2jpq h ALA 41 N -0.17 1.19 -0.10 1.87 0.00 -0.77 -0.78 119.26 120.51 2jpq h ALA 41 Ca -0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jpq h ALA 41 Cb 0.55 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jpq h ALA 41 CO 0.07 0.54 0.01 1.15 0.00 0.00 0.00 179.25 181.03 2jpq h THR 42 N 1.23 0.95 -0.80 0.00 2.02 -0.42 0.20 112.91 116.10 2jpq h THR 42 Ca 0.35 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.52 2jpq h THR 42 Cb -0.10 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2jpq h THR 42 CO -0.09 0.01 0.53 -1.13 0.37 0.00 0.00 175.52 175.21 2jpq h ASN 43 N 0.05 0.91 -0.43 4.18 -1.24 -0.41 0.22 115.58 118.86 2jpq h ASN 43 Ca 0.04 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 2jpq h ASN 43 Cb 0.04 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 2jpq h ASN 43 CO -0.07 0.66 0.24 0.58 -1.29 0.00 0.00 177.43 177.55 2jpq h VAL 44 N 1.08 1.15 0.00 2.57 2.07 -0.82 0.53 116.25 122.83 2jpq h VAL 44 Ca 0.29 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2jpq h VAL 44 Cb -0.12 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2jpq h VAL 44 CO -0.06 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.87 2jpq n LEU 45 N -4.72 0.40 -0.10 2.57 4.77 0.68 0.13 117.00 120.73 2jpq n LEU 45 Ca 0.01 0.61 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 2jpq n LEU 45 Cb 0.08 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 2jpq n LEU 45 CO 0.36 -0.48 -0.78 0.59 -1.33 0.00 0.00 177.39 175.74 2jpq n ASN 46 N -1.95 1.91 -0.02 -1.43 5.03 -0.02 -4.73 115.26 114.05 2jpq n ASN 46 Ca 0.02 0.41 0.03 0.00 0.87 0.00 0.00 54.58 55.91 2jpq n ASN 46 Cb 0.18 -0.82 -0.11 0.00 -1.02 0.00 0.00 39.78 38.02 2jpq n ASN 46 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jpq n GLN 47 N -4.44 0.88 -0.13 3.52 6.02 0.10 -4.74 117.38 118.60 2jpq n GLN 47 Ca -0.25 -0.09 -0.18 0.00 -0.01 0.00 0.00 57.00 56.47 2jpq n GLN 47 Cb 0.58 -1.33 -0.12 0.00 1.02 0.00 0.00 30.24 30.39 2jpq n GLN 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jpq n ARG 48 N -2.14 0.65 -2.43 -1.09 1.74 -0.38 -4.99 116.66 108.03 2jpq n ARG 48 Ca -0.08 0.15 -0.26 0.00 -0.77 0.00 0.00 57.85 56.88 2jpq n ARG 48 Cb 0.54 -1.52 0.03 0.00 -1.02 0.00 0.00 32.46 30.49 2jpq n ARG 48 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jpq s VAL 49 N -2.52 3.62 0.44 1.55 0.11 0.12 -5.02 120.40 118.69 2jpq s VAL 49 Ca -0.34 -0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.54 2jpq s VAL 49 Cb 0.09 -3.44 -0.07 0.00 -1.53 0.00 0.00 36.38 31.43 2jpq s VAL 49 CO 0.61 -0.44 0.84 0.00 -3.33 0.00 0.00 175.10 172.78 2jpq s ALA 50 N -2.97 3.25 0.06 1.54 0.00 -1.26 -4.87 121.76 117.51 2jpq s ALA 50 Ca 0.54 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 2jpq s ALA 50 Cb -0.10 -2.85 -0.15 0.00 0.00 0.00 0.00 23.12 20.01 2jpq s ALA 50 CO 0.45 -0.06 1.61 0.00 0.00 0.00 0.00 175.76 177.76 2jpq h ALA 51 N 1.22 0.04 -0.18 0.00 0.00 -1.97 0.11 119.26 118.49 2jpq h ALA 51 Ca -0.47 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 2jpq h ALA 51 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2jpq h ALA 51 CO 0.63 -0.38 -0.19 0.77 0.00 0.00 0.00 179.25 180.07 2jpq h SER 52 N -0.09 0.31 0.45 0.00 0.02 -2.03 -2.32 113.55 109.89 2jpq h SER 52 Ca 0.01 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2jpq h SER 52 Cb 0.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2jpq h SER 52 CO -0.00 0.52 -0.17 1.67 -1.14 0.00 0.00 176.83 177.71 2jpq n GLN 53 N -4.19 0.51 0.31 3.45 -0.06 -1.10 -4.41 117.38 111.89 2jpq n GLN 53 Ca -0.00 -0.19 -0.13 0.00 -2.00 0.00 0.00 57.00 54.67 2jpq n GLN 53 Cb 0.33 -1.50 -0.06 0.00 -4.06 0.00 0.00 30.24 24.96 2jpq n GLN 53 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2jpq h ARG 54 N 0.47 -0.81 -0.70 3.69 2.43 -0.19 0.29 114.38 119.57 2jpq h ARG 54 Ca 0.00 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2jpq h ARG 54 Cb 0.41 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2jpq h ARG 54 CO 0.00 -0.54 0.31 -0.22 -1.51 0.00 0.00 179.97 178.01 2jpq h LYS 55 N -1.21 1.02 0.08 0.20 1.63 -1.77 0.49 116.57 117.01 2jpq h LYS 55 Ca -0.09 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2jpq h LYS 55 Cb 0.64 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2jpq h LYS 55 CO 0.14 0.81 -0.04 1.25 -3.45 0.00 0.00 179.45 178.17 2jpq h LEU 56 N 1.01 -0.09 -1.47 5.20 6.46 -1.78 -0.33 115.31 124.31 2jpq h LEU 56 Ca 0.24 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 2jpq h LEU 56 Cb 0.15 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2jpq h LEU 56 CO -0.03 0.14 -0.16 0.40 -0.62 0.00 0.00 178.44 178.18 2jpq h ILE 57 N -0.31 1.17 -0.18 4.05 2.04 -0.63 0.35 117.51 124.00 2jpq h ILE 57 Ca -0.01 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2jpq h ILE 57 Cb 0.27 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2jpq h ILE 57 CO 0.02 0.23 -0.11 0.00 0.00 0.00 0.00 178.15 178.28 2jpq h ALA 58 N 1.70 0.25 -0.57 1.87 0.00 -0.71 -0.65 119.26 121.15 2jpq h ALA 58 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2jpq h ALA 58 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jpq h ALA 58 CO 0.02 0.10 0.23 0.93 0.00 0.00 0.00 179.25 180.53 2jpq h GLU 59 N 0.06 0.85 -0.59 0.00 4.39 -0.50 -0.76 114.58 118.04 2jpq h GLU 59 Ca 0.04 -0.15 0.09 0.00 0.34 0.00 0.00 59.36 59.67 2jpq h GLU 59 Cb 0.61 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 2jpq h GLU 59 CO 0.03 0.73 0.23 -0.22 -1.16 0.00 0.00 179.01 178.62 2jpq h LYS 60 N 0.79 0.41 -0.13 2.33 3.64 -0.26 0.12 116.57 123.47 2jpq h LYS 60 Ca 0.19 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2jpq h LYS 60 Cb 0.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2jpq h LYS 60 CO -0.02 0.27 0.05 0.35 -2.27 0.00 0.00 179.45 177.83 2jpq h PHE 61 N 0.42 0.20 -0.46 1.91 3.57 -0.71 -0.85 116.94 121.01 2jpq h PHE 61 Ca 0.29 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2jpq h PHE 61 Cb 0.34 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2jpq h PHE 61 CO -0.16 0.29 0.22 0.00 -2.23 0.00 0.00 178.31 176.43 2jpq h ALA 62 N 0.89 0.60 -0.51 2.41 0.00 -0.63 0.13 119.26 122.15 2jpq h ALA 62 Ca 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2jpq h ALA 62 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jpq h ALA 62 CO -0.00 0.17 -0.07 1.96 0.00 0.00 0.00 179.25 181.31 2jpq h GLN 63 N 0.60 0.92 -0.08 0.00 1.08 -0.74 0.83 115.11 117.72 2jpq h GLN 63 Ca 0.16 -0.30 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 2jpq h GLN 63 Cb 0.13 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2jpq h GLN 63 CO -0.02 0.95 -0.28 0.00 -0.95 0.00 0.00 178.83 178.53 2jpq h ALA 64 N 1.08 1.38 -0.04 3.87 0.00 -0.87 -2.04 119.26 122.63 2jpq h ALA 64 Ca 0.14 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 2jpq h ALA 64 Cb 0.59 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jpq h ALA 64 CO 0.04 0.44 -0.89 1.25 0.00 0.00 0.00 179.25 180.08 2jpq h LEU 65 N 0.13 0.69 -0.96 0.00 5.85 -0.29 -1.86 115.31 118.87 2jpq h LEU 65 Ca 0.02 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 2jpq h LEU 65 Cb 0.58 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2jpq h LEU 65 CO 0.04 1.30 -0.05 0.24 -0.34 0.00 0.00 178.44 179.64 2jpq h MET 66 N 0.34 0.70 0.00 1.25 2.86 -0.57 0.69 114.93 120.19 2jpq h MET 66 Ca -0.08 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 2jpq h MET 66 Cb 1.52 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 2jpq h MET 66 CO 0.17 0.75 -0.53 0.66 1.06 0.00 0.00 176.91 179.02 2jpq h SER 67 N 0.65 0.00 1.14 1.22 4.64 -1.37 -2.91 113.55 116.92 2jpq h SER 67 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2jpq h SER 67 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2jpq h SER 67 CO 0.02 0.53 -0.24 -1.20 -0.87 0.00 0.00 176.83 175.07 2jpq n SER 68 N -3.24 0.64 -4.55 4.97 7.64 -0.70 -4.62 113.62 113.76 2jpq n SER 68 Ca 0.02 0.35 -0.37 0.00 1.01 0.00 0.00 58.87 59.89 2jpq n SER 68 Cb 0.75 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2jpq n SER 68 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jpq s LEU 69 N -4.10 3.26 -1.03 -3.43 0.20 0.20 -4.91 118.68 108.87 2jpq s LEU 69 Ca 0.10 -0.06 -0.12 0.00 0.69 0.00 0.00 54.13 54.73 2jpq s LEU 69 Cb 0.14 -2.54 0.23 0.00 -0.43 0.00 0.00 46.19 43.59 2jpq s LEU 69 CO 0.64 -2.34 1.06 -0.70 -0.29 0.00 0.00 176.35 174.72 2jpq s GLU 70 N 6.76 3.95 0.50 1.98 2.12 -1.26 -4.98 118.70 127.77 2jpq s GLU 70 Ca 0.62 -2.76 -0.04 0.00 0.36 0.00 0.00 54.97 53.16 2jpq s GLU 70 Cb -0.10 -4.64 -0.02 0.00 0.26 0.00 0.00 34.13 29.64 2jpq s GLU 70 CO 0.14 -1.39 0.78 0.95 -0.54 0.00 0.00 175.26 175.20 2jpq s THR 71 N -0.01 4.43 -0.43 -1.70 -4.23 -1.26 -5.00 115.64 107.45 2jpq s THR 71 Ca 0.29 -0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.50 2jpq s THR 71 Cb -0.08 -3.69 -0.09 0.00 1.34 0.00 0.00 72.50 69.98 2jpq s THR 71 CO -0.07 -0.64 2.34 -0.81 -0.54 0.00 0.00 174.62 174.90 2jpq n PRO 72 N -2.29 1.22 -3.51 3.99 -0.04 -1.26 -4.91 135.00 128.20 2jpq n PRO 72 Ca 0.01 0.21 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 2jpq n PRO 72 Cb 0.56 -3.02 -0.09 0.00 -0.04 0.00 0.00 33.50 30.91 2jpq n PRO 72 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jpq s LYS 73 N 7.39 2.82 -0.31 0.54 1.02 -1.26 -4.82 119.74 125.11 2jpq s LYS 73 Ca 1.05 -1.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.72 2jpq s LYS 73 Cb -0.45 -3.91 0.00 0.00 -0.52 0.00 0.00 37.83 32.95 2jpq s LYS 73 CO 0.35 -0.90 0.08 2.41 -0.92 0.00 0.00 175.35 176.37 2jpq n THR 74 N 5.06-11.50 -2.44 2.17 -1.04 -1.26 -4.90 114.28 100.36 2jpq n THR 74 Ca -0.11 1.65 -0.43 0.00 -2.04 0.00 0.00 64.05 63.12 2jpq n THR 74 Cb 0.44 -6.86 -0.02 0.00 -1.82 0.00 0.00 70.33 62.07 2jpq n THR 74 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2jpq s HIS 75 N -1.70 2.85 0.17 -1.42 2.46 -1.26 -4.98 115.29 111.42 2jpq s HIS 75 Ca 0.03 1.02 -0.31 0.00 0.47 0.00 0.00 55.06 56.27 2jpq s HIS 75 Cb -0.01 -3.58 -0.09 0.00 -0.13 0.00 0.00 32.58 28.77 2jpq s HIS 75 CO 0.75 -1.60 1.39 -0.51 -2.47 0.00 0.00 174.74 172.30 2jpq s LEU 76 N 3.68 4.39 0.14 8.88 1.02 -1.26 -5.02 118.68 130.51 2jpq s LEU 76 Ca 0.54 2.45 -0.04 0.00 0.02 0.00 0.00 54.13 57.09 2jpq s LEU 76 Cb -0.20 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.38 2jpq s LEU 76 CO 0.16 -0.63 0.15 -1.83 0.02 0.00 0.00 176.35 174.21 2jpq s GLU 77 N 0.40 1.01 -0.32 1.70 4.04 -1.26 -5.08 118.70 119.19 2jpq s GLU 77 Ca 0.61 -1.32 0.15 0.00 0.04 0.00 0.00 54.97 54.46 2jpq s GLU 77 Cb -0.38 0.30 0.47 0.00 0.02 0.00 0.00 34.13 34.53 2jpq s GLU 77 CO 0.36 -0.32 1.08 1.58 -1.84 0.00 0.00 175.26 176.11 2jpq n HIS 78 N -0.14 1.88 0.00 4.83 -0.00 -1.26 -4.76 115.22 115.78 2jpq n HIS 78 Ca -0.07 -2.53 0.00 0.00 0.46 0.00 0.00 57.72 55.58 2jpq n HIS 78 Cb 0.63 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 2jpq n HIS 78 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jpq n HIS 79 N -0.43 0.00 -4.25 1.57 8.25 -1.26 -5.01 115.22 114.08 2jpq n HIS 79 Ca 0.20 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.33 2jpq n HIS 79 Cb 0.81 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.87 2jpq n HIS 79 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jpq n HIS 80 N -0.45 -1.47 -2.91 4.41 1.44 -1.26 -4.90 115.22 110.08 2jpq n HIS 80 Ca 0.00 0.71 -0.33 0.00 -2.01 0.00 0.00 57.72 56.09 2jpq n HIS 80 Cb 0.00 -2.89 -0.07 0.00 0.12 0.00 0.00 29.99 27.16 2jpq n HIS 80 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2jpq s HIS 81 N -3.76 3.33 0.11 -1.40 -3.43 -1.26 -5.07 115.29 103.82 2jpq s HIS 81 Ca 0.37 1.50 0.04 0.00 -0.80 0.00 0.00 55.06 56.17 2jpq s HIS 81 Cb -0.21 -2.76 -0.04 0.00 -1.43 0.00 0.00 32.58 28.14 2jpq s HIS 81 CO 0.96 -0.05 0.06 -1.01 -2.00 0.00 0.00 174.74 172.70 2jpq s HIS 82 N -2.12 3.08 0.00 0.38 3.76 -1.26 -5.20 115.29 113.93 2jpq s HIS 82 Ca 0.60 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.51 2jpq s HIS 82 Cb -0.09 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.05 2jpq s HIS 82 CO 0.14 0.51 0.00 1.58 -0.85 0.00 0.00 174.74 176.12